(2S)-1-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2S)-1-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2S)-1-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2S)-1-[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2S)-1-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide Traditional Name: (2S)-1-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]pipecolinamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCCCC3C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCCC[C@H]3C(=O)N

InChI

InChI=1S/C19H28N4O3/c1-26-16-6-4-5-15(13-16)22-11-9-21(10-12-22)14-18(24)23-8-3-2-7-17(23)19(20)25/h4-6,13,17H,2-3,7-12,14H2,1H3,(H2,20,25)/p+1/t17-/m0/s1