N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-1-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-1-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-1-methyl-piperidin-1-ium-4-carboxamide Formula: C19H30ClN3O+2 MolecularWeight: 351.914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H28ClN3O/c1-22-11-8-16(9-12-22)19(24)21-18-3-2-10-23(14-18)13-15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-14H2,1H3,(H,21,24)/p+2/t18-/m0/s1