(3S)-N,N-dimethyl-1-[1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N,N-dimethyl-1-[1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-amine Openeye Name: (3S)-N,N-dimethyl-1-[1-[4-(2-methylimidazol-1-yl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N,N-dimethyl-1-[1-[4-(2-methyl-1-imidazolyl)phenyl]-4-piperidinyl]-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-N,N-dimethyl-1-[1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-yl]pyrrolidin-1-ium-3-amine Traditional Name: dimethyl-[(3S)-1-[1-[4-(2-methylimidazol-1-yl)phenyl]-4-piperidyl]pyrrolidin-1-ium-3-yl]amine Formula: C21H32N5+ MolecularWeight: 354.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC(C4)N(C)C

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CC[C@@H](C4)N(C)C

InChI

InChI=1S/C21H31N5/c1-17-22-11-15-26(17)20-6-4-18(5-7-20)24-12-8-19(9-13-24)25-14-10-21(16-25)23(2)3/h4-7,11,15,19,21H,8-10,12-14,16H2,1-3H3/p+1/t21-/m0/s1