azepan-1-yl-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-veratrylpiperidin-1-ium-3-yl]methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H32N2O3/c1-25-19-10-9-17(14-20(19)26-2)15-22-11-7-8-18(16-22)21(24)23-12-5-3-4-6-13-23/h9-10,14,18H,3-8,11-13,15-16H2,1-2H3/p+1/t18-/m0/s1