[(3S)-2-oxidanylideneazepan-3-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O/c22-18-17(8-4-5-11-19-18)20-16-9-12-21(13-10-16)14-15-6-2-1-3-7-15/h1-3,6-7,16-17,20H,4-5,8-14H2,(H,19,22)/p+2/t17-/m0/s1