[(3R,4S)-4-azanyl-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone

Systemtic Name: [(3R,4S)-4-azanyl-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone Openeye Name: [(3R,4S)-4-amino-1-(3,4-dimethoxyphenyl)-3-piperidyl]-(2,5-dihydropyrrol-1-yl)methanone CAS Name: [(3R,4S)-4-amino-1-(3,4-dimethoxyphenyl)-3-piperidinyl]-(2,5-dihydropyrrol-1-yl)methanone IUPAC Name: [(3R,4S)-4-amino-1-(3,4-dimethoxyphenyl)piperidin-3-yl]-(2,5-dihydropyrrol-1-yl)methanone Traditional Name: [(3R,4S)-4-amino-1-(3,4-dimethoxyphenyl)-3-piperidyl]-(3-pyrrolin-1-yl)methanone Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCC(C(C2)C(=O)N3CC=CC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC[C@@H]([C@@H](C2)C(=O)N3CC=CC3)N)OC

InChI

InChI=1S/C18H25N3O3/c1-23-16-6-5-13(11-17(16)24-2)21-10-7-15(19)14(12-21)18(22)20-8-3-4-9-20/h3-6,11,14-15H,7-10,12,19H2,1-2H3/t14-,15+/m1/s1