(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone CAS Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone Formula: C25H39N3O+2 MolecularWeight: 397.59666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H37N3O/c1-20(2)26-17-12-24(13-18-26)28-14-6-9-23(19-28)25(29)27-15-10-22(11-16-27)21-7-4-3-5-8-21/h3-5,7-8,10,20,23-24H,6,9,11-19H2,1-2H3/p+2/t23-/m0/s1