azepan-1-yl-[(5R)-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[(5R)-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [(5R)-1-allyl-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[(5R)-5-[4-(4-morpholin-4-iumyl)-1-piperidin-1-iumyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [(5R)-1-allyl-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C26H43N5O2+2 MolecularWeight: 457.65192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCC(CC3)[NH+]4CCOCC4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCC(CC3)[NH+]4CCOCC4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C26H41N5O2/c1-2-11-31-24-8-7-22(28-14-9-21(10-15-28)29-16-18-33-19-17-29)20-23(24)25(27-31)26(32)30-12-5-3-4-6-13-30/h2,21-22H,1,3-20H2/p+2/t22-/m1/s1