[(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(4-methoxycarbonylanilino)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(4-carbomethoxyphenyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H29N3O3/c1-25(16-14-18-7-4-3-5-8-18)21-9-6-15-26(17-21)23(28)24-20-12-10-19(11-13-20)22(27)29-2/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3,(H,24,28)/p+1/t21-/m0/s1