N-[(2S)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide Formula: C27H38N3O5+ MolecularWeight: 484.60772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H37N3O5/c1-6-35-22-9-7-20(8-10-22)18-29-11-13-30(14-12-29)27(32)25(19(2)3)28-26(31)21-15-23(33-4)17-24(16-21)34-5/h7-10,15-17,19,25H,6,11-14,18H2,1-5H3,(H,28,31)/p+1/t25-/m0/s1