(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-prop-2-enyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-prop-2-enyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-allyl-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-prop-2-enyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-prop-2-enylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-allyl-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C=CCNC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H28N4O2/c1-2-11-22-20(26)16-6-5-12-25(15-16)17-9-13-24(14-10-17)21-23-18-7-3-4-8-19(18)27-21/h2-4,7-8,16-17H,1,5-6,9-15H2,(H,22,26)/p+1/t16-/m0/s1