azepan-1-yl-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-o-veratrylpiperidin-1-ium-3-yl]methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC[C@@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N2O3/c1-25-19-11-7-9-17(20(19)26-2)15-22-12-8-10-18(16-22)21(24)23-13-5-3-4-6-14-23/h7,9,11,18H,3-6,8,10,12-16H2,1-2H3/p+1/t18-/m0/s1