1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylcyclopropane-1-carboxamide

Systemtic Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylcyclopropane-1-carboxamide Openeye Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropanecarboxamide CAS Name: 1-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-1-cyclopropanecarboxamide IUPAC Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropane-1-carboxamide Traditional Name: 1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropanecarboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4(CC4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4(CC4)C(=O)N

InChI

InChI=1S/C21H30N4O3/c1-28-18-7-3-2-6-17(18)24-13-11-23(12-14-24)16-5-4-10-25(15-16)20(27)21(8-9-21)19(22)26/h2-3,6-7,16H,4-5,8-15H2,1H3,(H2,22,26)/p+1/t16-/m0/s1