(3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C17H28N4O+2 MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCC[NH2+]C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C17H26N4O/c1-20-9-11-21(12-10-20)16-6-4-15(5-7-16)19-17(22)14-3-2-8-18-13-14/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,22)/p+2/t14-/m0/s1