N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-2-pyrrolidino-benzamide Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)NC(=O)C3=CC=CC=C3N4CCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)NC(=O)C3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C22H34N4O/c1-24-15-10-19(11-16-24)26-14-6-7-18(17-26)23-22(27)20-8-2-3-9-21(20)25-12-4-5-13-25/h2-3,8-9,18-19H,4-7,10-17H2,1H3,(H,23,27)/p+1/t18-/m0/s1