3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-[(1R,2S)-2-methylcyclohexyl]azanium

Systemtic Name: 3-(3-azanyl-4-pyrrolidin-1-yl-phenyl)propyl-[(1R,2S)-2-methylcyclohexyl]azanium Openeye Name: 3-(3-amino-4-pyrrolidin-1-yl-phenyl)propyl-[(1R,2S)-2-methylcyclohexyl]ammonium CAS Name: 3-[3-amino-4-(1-pyrrolidinyl)phenyl]propyl-[(1R,2S)-2-methylcyclohexyl]ammonium IUPAC Name: 3-(3-amino-4-pyrrolidin-1-ylphenyl)propyl-[(1R,2S)-2-methylcyclohexyl]azanium Traditional Name: 3-(3-amino-4-pyrrolidino-phenyl)propyl-[(1R,2S)-2-methylcyclohexyl]ammonium Formula: C20H34N3+ MolecularWeight: 316.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CCCC2=CC(=C(C=C2)N3CCCC3)N

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH2+]CCCC2=CC(=C(C=C2)N3CCCC3)N

InChI

InChI=1S/C20H33N3/c1-16-7-2-3-9-19(16)22-12-6-8-17-10-11-20(18(21)15-17)23-13-4-5-14-23/h10-11,15-16,19,22H,2-9,12-14,21H2,1H3/p+1/t16-,19+/m0/s1